Institute

Recent journal articles

Aach, M. (Corresponding author) ; Sarma, R. ; Neukirchen, H. ; Riedel, M. ; Lintermann, A.
Resource-adaptive successive doubling for hyperparameter optimization with large datasets on high-performance computing systems
Future generation computer systems 175, 108042 - (2026) [10.1016/j.future.2025.108042]2026 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Manzi, A. ; Bardaji, R. ; Rodero, I. ; Moltó, G. ; Fiore, S. ; Campos, I. (Corresponding author) ; Elia, D. ; Sarandrea, F. ; Millar, A. P. ; Spiga, D. ; Bunino, M. ; Accarino, G. ; Asprea, L. ; Bernardo, S. ; Caballer, M. ; Chatzikyriakou, C. ; Ciangottini, D. ; Claus, M. ; Cristofori, A. ; Donno, D. ; Donno, E. ; Ferrario, I. ; Fronza, M. ; Jacob, A. ; Komijani, J. ; Marinkovic, M. K. ; Legger, F. ; Palomo, I. ; Parcero, E. ; Sarma, R. ; Sinha Ray, G. ; Vallero, S. ; Zvolensky, J.
interTwin: Advancing Scientific Digital Twins through AI, Federated Computing and Data
Future generation computer systems 179, 108312 (2026) [10.1016/j.future.2025.108312]2026 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Bunino, M. (Corresponding author) ; Sæther, J. S. ; Eickhoff, L. M. ; Lappe, A. E. ; Tsolaki, K. ; Verder, K. ; Mutegeki, H. ; Machacek, R. ; Girone, M. ; Krochak, O. ; Rüttgers, M. ; Sarma, R. ; Lintermann, A.
itwinai: A Python Toolkit for Scalable Scientific Machine Learning on HPC Systems
The journal of open source software 11(117), 9409 (2026) [10.21105/joss.09409]2026 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Keppens, A. (Corresponding author) ; Hubert, D. ; Granville, J. ; Nath, O. ; Lambert, J.-C. ; Wespes, C. ; Coheur, P.-F. ; Clerbaux, C. ; Boynard, A. ; Siddans, R. ; Latter, B. ; Kerridge, B. ; Di Pede, S. ; Veefkind, P. ; Cuesta, J. ; Dufour, G. ; Heue, K.-P. ; Coldewey-Egbers, M. ; Loyola, D. ; Orfanoz-Cheuquelaf, A. ; Maratt Satheesan, S. ; Eichmann, K.-U. ; Rozanov, A. ; Sofieva, V. F. ; Ziemke, J. R. ; Inness, A. ; Van Malderen, R. ; Hoffmann, L.
Harmonisation of sixteen tropospheric ozone satellite data records
Atmospheric measurement techniques 18(22), 6893 - 6916 (2025) [10.5194/amt-18-6893-2025]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Pfalzner, S. (Corresponding author) ; Wagner, F. W. ; Gibbon, P.
Trans-Neptunian Object Colors as Evidence for a Past Close Stellar Flyby to the Solar System
The astrophysical journal / Part 2 992(2), L32 - (2025) [10.3847/2041-8213/ae0e74]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Sutmann, G. (Corresponding author)
Statistics of Global Stochastic Optimization: how many steps to hit the target?
Mathematics 13(20), 3269 (2025) [10.3390/math13203269] special issue: "Statistics for Stochastic Processes"2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Immel, D. (First author) ; Mrovec, M. ; Drautz, R. ; Sutmann, G. (Corresponding author)
Nanoindentation simulations for copper and tungsten with adaptive-precision potentials
Physical review materials 9(9), 093805 (2025) [10.1103/2lkd-l6gt]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Grenmyr, A. ; Zhang, J. ; Sun, J. ; Moto, K. ; Wiefels, S. ; Koh, S.-R. ; Grützmacher, D. ; Zhao, Q.-T. (Corresponding author)
A Novel Approach to Implementing Artificial Thalamic Neurons with Ferroelectric Transistors
Advanced functional materials 35(40), 2500512 (2025) [10.1002/adfm.202500512]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Hoffmann, L. (Corresponding author) ; Clemens, J. ; Griessbach, S. ; Mood, K. H. ; Heng, Y. ; Khosrawi, F. ; Liu, M. ; Lu, Y.-S. ; Meyer, C. ; Wittwer, N. N. ; Wu, X. ; Zou, L.
MPTRAC: A high-performance Lagrangian transport model for atmospheric air parcel dispersion
The journal of open source software 10(111), 8177 (2025) [10.21105/joss.08177]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Diekmann, C. J. (Corresponding author) ; Schneider, M. ; Knippertz, P. ; Trent, T. ; Boesch, H. ; Roehling, A. N. ; Worden, J. ; Ertl, B. ; Khosrawi, F. ; Hase, F.
Water vapour isotopes over West Africa as observed from space: which processes control tropospheric H 2 O ∕ HDO pair distributions?
Atmospheric chemistry and physics 25(11), 5409 - 5431 (2025) [10.5194/acp-25-5409-2025]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Rüttgers, M. ; Waldmann, M. ; Hübenthal, F. ; Vogt, K. ; Tsubokura, M. ; Lee, S. ; Lintermann, A. (Corresponding author)
Towards a widespread usage of computational fluid dynamics simulations for automated virtual nasal surgery planning
Future generation computer systems 174, 107935 (2026) [10.1016/j.future.2025.107935]2026 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Okui, H. (Corresponding author) ; Wright, C. J. ; Berthelemy, P. G. ; Hindley, N. P. ; Hoffmann, L. ; Barnes, A. P.
A Convolutional Neural Network for the Detection of Gravity Waves in Satellite Observations and Numerical Simulations
Geophysical research letters 52(11), e2025GL115683 (2025) [10.1029/2025GL115683]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Brönner, M. (Corresponding author) ; Atzeni, S. ; Callahan, D. ; Gaffney, J. ; Gibbon, P. ; Jarrott, L. C. ; Mateo, A. ; Savino, L. ; Schott, N. ; Theobald, W. ; Roth, M.
Particle swarm optimization of 1D isochoric compression designs for fast ignition
Physics of plasmas 32(2), 022710 (2025) [10.1063/5.0244435]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Wu, X. ; Hoffmann, L. (Corresponding author) ; Wright, C. J. ; Hindley, N. P. ; Alexander, M. J. ; Wang, X. (Corresponding author) ; Chen, B. (Corresponding author) ; Wang, Y. ; Li, M.
Mechanisms Linking Stratospheric Gravity Wave Activity to Hurricane Intensification: Insights From Model Simulation of Hurricane Joaquin
Geophysical research letters 52(10), e2024GL113531 (2025) [10.1029/2024GL113531]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Liu, M. (Corresponding author) ; Hoffmann, L. ; Grooß, J.-U. ; Cai, Z. ; Grießbach, S. ; Heng, Y.
Technical note: A comparative study of chemistry schemes for volcanic sulfur dioxide in Lagrangian transport simulations – a case study of the 2019 Raikoke eruption
Atmospheric chemistry and physics 25(8), 4403 - 4418 (2025) [10.5194/acp-25-4403-2025]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Immel, D. ; Drautz, R. ; Sutmann, G. (Corresponding author)
Adaptive-precision potentials for large-scale atomistic simulations
The journal of chemical physics 162(11), 114119 (2025) [10.1063/5.0245877] special issue: "Molecular Dynamics, Methods and Applications 60 Years after Rahman"2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Bartolomeu, R. ; Halver, R. ; Meinke, J. H. (Corresponding author) ; Sutmann, G.
Effect of implementations of the N-body problem on the performance and portability across GPU vendors
Future generation computer systems 169, 107802 (2025) [10.1016/j.future.2025.107802]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Kogure, M. (Corresponding author) ; Yue, J. ; Chou, M.-Y. ; Liu, H. ; Otsuka, Y. ; Randall, C. E. ; Hoffmann, L. ; Hozumi, Y.
Coincident/Simultaneous Observations of Stratospheric Concentric Gravity Waves and Concentric Traveling Ionospheric Disturbances Over the Continental U.S. in 2022
JGR / Space physics (0196-6928) 130(3), e2024JA033429 (2025) [10.1029/2024JA033429]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Rüttgers, M. (Corresponding author) ; Waldmann, M. ; Ito, S. ; Wüstenhagen, C. ; Grundmann, S. ; Brede, M. ; Lintermann, A.
Patient-specific lattice-Boltzmann simulations with inflow conditions from magnetic resonance velocimetry measurements for analyzing cerebral aneurysms
Computers in biology and medicine 187, 109794 (2025) [10.1016/j.compbiomed.2025.109794]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Ganesan, H. (Corresponding author) ; Sutmann, G.
Modeling segregated solutes in plastically deformed alloys using coupled molecular dynamics-Monte Carlo simulations
Journal of materials science & technology 213, 98 - 108 (2025) [10.1016/j.jmst.2024.06.030]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Berthelemy, P. G. (Corresponding author) ; Wright, C. J. ; Hindley, N. P. ; Noble, P. E. ; Hoffmann, L.
A novel identification method for stratospheric gravity waves in nadir viewing satellite observations
Atmospheric chemistry and physics 25(23), 17595 - 17611 (2025) [10.5194/acp-25-17595-2025]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Chihaia, V. (Corresponding author) ; Sutmann, G. (Corresponding author)
Molecular Simulations of Energy Materials
Molecules 30(21), 4270 (2025) [10.3390/molecules30214270]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Nikfal, A. (Corresponding author)
WRFtailor: A Toolkit for Tailoring the WRF Model Input Data
Geoscience Data Journal 12(4), e70031 (2025) [10.1002/gdj3.70031]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Rüttgers, M. ; Vorspohl, J. ; Mayolle, L. ; Johanning-Meiners, B. ; Krug, D. ; Klaas, M. ; Meinke, M. ; Lee, S. ; Schröder, W. ; Lintermann, A. (Corresponding author)
Comparative analysis of the flow in a realistic human airway
Physics of fluids 37(12), 121901 (2025) [10.1063/5.0301891]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Asmouh, I. (Corresponding author) ; Ouardghi, A.
A BDF2 characteristic-Galerkin isogeometric analysis for the miscible displacement of incompressible fluids in porous media
Computers & fluids 298, 106675 (2025) [10.1016/j.compfluid.2025.106675]2025 Files BibTeX | EndNote: XML, Text | RIS

Baumeier, B. (Corresponding author) ; Wehner, J. ; Renaud, N. ; Ruiz, F. Z. ; Halver, R. ; Madhikar, P. ; Gerritsen, R. ; Tirimbo, G. ; Sijen, J. ; Rosenberger, D. ; Brown, J. S. ; Sundaram, V. ; Krajniak, J. ; Bernhardt, M. ; Junghans, C.
VOTCA: multiscale frameworks for quantum and classical simulations in soft matter
The journal of open source software 9(99), 6864 (2024) [10.21105/joss.06864]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Vadas, S. L. (Corresponding author) ; Becker, E. ; Bossert, K. ; Hozumi, Y. ; Stober, G. ; Harvey, V. L. ; Baumgarten, G. ; Hoffmann, L.
The Role of the Polar Vortex Jet for Secondary and Higher‐Order Gravity Waves in the Northern Mesosphere and Thermosphere During 11–14 January 2016
JGR / Space physics 129(9), e2024JA032521 (2024) [10.1029/2024JA032521]2024 BibTeX | EndNote: XML, Text | RIS

Friedemann, S. (Corresponding author) ; Keller, K. ; Lu, Y.-S. ; Raffin, B. ; Bautista-Gomez, L.
Dynamic load/propagate/store for data assimilation with particle filters on supercomputers
Journal of computational science 76, 102229 (2024) [10.1016/j.jocs.2024.102229]2024 Files BibTeX | EndNote: XML, Text | RIS

Noble, P. E. (Corresponding author) ; Rhode, S. ; Hindley, N. P. ; Berthelemy, P. ; Moffat-Griffin, T. ; Preusse, P. ; Hoffmann, L. ; Wright, C. J.
Exploring Sources of Gravity Waves in the Southern Winter Stratosphere Using 3‐D Satellite Observations and Backward Ray‐Tracing
JGR / Atmospheres 129(23), e2024JD041294 (2024) [10.1029/2024JD041294]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Schneider, M. (Corresponding author) ; Toride, K. ; Khosrawi, F. ; Hase, F. ; Ertl, B. ; Diekmann, C. J. ; Yoshimura, K.
Assessing the potential of free-tropospheric water vapour isotopologue satellite observations for improving the analyses of convective events
Atmospheric measurement techniques 17(17), 5243 - 5259 (2024) [10.5194/amt-17-5243-2024]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Zou, L. (Corresponding author) ; Spang, R. ; Griessbach, S. ; Hoffmann, L. ; Khosrawi, F. ; Müller, R. ; Tritscher, I.
Impact of mountain-wave-induced temperature fluctuations on the occurrence of polar stratospheric ice clouds: a statistical analysis based on MIPAS observations and ERA5 data
Atmospheric chemistry and physics 24(20), 11759 - 11774 (2024) [10.5194/acp-24-11759-2024]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Wulff, E. (Corresponding author) ; Garcia Amboage, J. P. ; Aach, M. ; Gislason, T. E. ; Ingolfsson, T. K. ; Ingolfsson, T. K. ; Pasetto, E. ; Delilbasic, A. ; Riedel, M. ; Sarma, R. ; Girone, M. ; Lintermann, A.
Distributed hybrid quantum-classical performance prediction for hyperparameter optimization
Quantum machine intelligence 6(2), 59 (2024) [10.1007/s42484-024-00198-5]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Sarma, R. (Corresponding author) ; Inanc, E. ; Aach, M. ; Lintermann, A.
Parallel and scalable AI in HPC systems for CFD applications and beyond
2, 1444337 pp. (2024) [10.3389/fhpcp.2024.1444337]2024 OpenAccess Files Fulltext BibTeX | EndNote: XML, Text | RIS

Sarma, R. (Corresponding author) ; Hübenthal, F. ; Inanc, E. ; Lintermann, A.
Prediction of Turbulent Boundary Layer Flow Dynamics with Transformers
Mathematics 12(19), 2998 (2024) [10.3390/math12192998]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Puri, R. (Corresponding author) ; Onishi, J. ; Rüttgers, M. ; Sarma, R. ; Tsubokura, M. ; Lintermann, A.
On the choice of physical constraints in artificial neural networks for predicting flow fields
Future generation computer systems 161, 361 - 375 (2024) [10.1016/j.future.2024.07.009]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Emmerichs, T. (Corresponding author) ; Lu, Y.-S. ; Taraborrelli, D.
The influence of plant water stress on vegetation–atmosphere exchanges: implications for ozone modelling
Biogeosciences 21(14), 3251 - 3269 (2024) [10.5194/bg-21-3251-2024]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Tu, Q. (Corresponding author) ; Hase, F. ; Qin, K. ; Cohen, J. B. ; Khosrawi, F. ; Zou, X. ; Schneider, M. ; Lu, F.
Quantifying CH4 emissions from coal mine aggregation areas in Shanxi, China, using TROPOMI observations and the wind-assigned anomaly method
Atmospheric chemistry and physics 24(8), 4875 - 4894 (2024) [10.5194/acp-24-4875-2024]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Sonnabend, J. ; Grooss, J.-U. ; Ploeger, F. ; Hoffmann, L. ; Jöckel, P. ; Kern, B. ; Müller, R.
Lagrangian transport based on the winds of the icosahedral nonhydrostatic model (ICON)
Meteorologische Zeitschrift 33(3), 229-242 (2024) [10.1127/metz/2024/1207]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Lear, E. J. (Corresponding author) ; Wright, C. J. ; Hindley, N. P. ; Polichtchouk, I. ; Hoffmann, L.
Comparing Gravity Waves in a Kilometer‐Scale Run of the IFS to AIRS Satellite Observations and ERA5
JGR / Atmospheres 129(11), e2023JD040097 (2024) [10.1029/2023JD040097]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Clemens, J. H. (Corresponding author) ; Hoffmann, L. ; Vogel, B. ; Grießbach, S. ; Thomas, N.
Implementation and evaluation of diabatic advection in the Lagrangian transport model MPTRAC 2.6
Geoscientific model development 17(10), 4467 - 4493 (2024) [10.5194/gmd-17-4467-2024]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Liu, X. (Corresponding author) ; Rüttgers, M. ; Quercia, A. ; Egele, R. ; Pfaehler, E. ; Shende, R. ; Aach, M. ; Schröder, W. ; Balaprakash, P. ; Lintermann, A.
Refining computer tomography data with super-resolution networks to increase the accuracy of respiratory flow simulations
Future generation computer systems 159, 474 - 488 (2024) [10.1016/j.future.2024.05.020]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Higashida, A. ; Ando, K. (Corresponding author) ; Rüttgers, M. ; Lintermann, A. ; Tsubokura, M.
Robustness evaluation of large-scale machine learning-based reduced order models for reproducing flow fields
Future generation computer systems 159, 243 - 254 (2024) [10.1016/j.future.2024.05.005]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Hoffmann, L. (Corresponding author) ; Haghighi Mood, K. ; Herten, A. ; Hrywniak, M. ; Kraus, J. ; Clemens, J. ; Liu, M.
Accelerating Lagrangian transport simulations on graphics processing units: performance optimizations of Massive-Parallel Trajectory Calculations (MPTRAC) v2.6
Geoscientific model development 17(9), 4077 - 4094 (2024) [10.5194/gmd-17-4077-2024]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Nikfal, A. (Corresponding author) ; Karimi, M. A.
Operational workflow to simulate biophysical variables, based on the coupled WRF/SEBAL models
Computers and electronics in agriculture 222, 109003 (2024) [10.1016/j.compag.2024.109003] special issue: "Agricultural Cybernetics: A New Methodology of Analysis and Development for Modern Agricultural Production Systems"2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Kruse, C. G. (Corresponding author) ; Alexander, M. J. ; Bramberger, M. ; Chattopadhyay, A. ; Hassanzadeh, P. ; Green, B. ; Grimsdell, A. ; Hoffmann, L.
Recreating Observed Convection‐Generated Gravity Waves From Weather Radar Observations via a Neural Network and a Dynamical Atmospheric Model
Journal of advances in modeling earth systems 16(4), e2023MS003624 (2024) [10.1029/2023MS003624]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Liao, Y. ; Deng, X. ; Huang, M. (Corresponding author) ; Liu, M. ; Yi, J. ; Hoffmann, L.
Tracking Carbon Dioxide with Lagrangian Transport Simulations: Case Study of Canadian Forest Fires in May 2021
Atmosphere 15(4), 429 (2024) [10.3390/atmos15040429]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Hassanian, R. (Corresponding author) ; Aach, M. ; Lintermann, A. ; Helgadóttir, Á. ; Riedel, M.
Turbulent Flow Prediction-Simulation: Strained Flow with Initial Isotropic Condition Using a GRU Model Trained by an Experimental Lagrangian Framework, with Emphasis on Hyperparameter Optimization
Fluids 9(4), 84 (2024) [10.3390/fluids9040084]2024 OpenAccess Files Fulltext BibTeX | EndNote: XML, Text | RIS

Rüttgers, M. (Corresponding author) ; Waldmann, M. ; Vogt, K. ; Ilgner, J. ; Schröder, W. ; Lintermann, A.
Automated surgery planning for an obstructed nose by combining computational fluid dynamics with reinforcement learning
Computers in biology and medicine 173, 108383 (2024) [10.1016/j.compbiomed.2024.108383]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Clemens, J. (Corresponding author) ; Vogel, B. ; Hoffmann, L. ; Griessbach, S. ; Thomas, N. ; Fadnavis, S. ; Müller, R. ; Peter, T. ; Ploeger, F.
A multi-scenario Lagrangian trajectory analysis to identify source regions of the Asian tropopause aerosol layer on the Indian subcontinent in August 2016
Atmospheric chemistry and physics 24(1), 763 - 787 (2024) [10.5194/acp-24-763-2024]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Bishnoi, A. (Corresponding author) ; Stein, O. (Corresponding author) ; Meyer, C. I. ; Redler, R. ; Eicker, N. ; Haak, H. ; Hoffmann, L. ; Klocke, D. ; Kornblueh, L. ; Suarez, E.
Earth system modeling on modular supercomputing architecture: coupled atmosphere–ocean simulations with ICON 2.6.6-rc
Geoscientific model development 17(1), 261 - 273 (2024) [10.5194/gmd-17-261-2024]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Last Modified: 18.03.2026